SCHEMBL3469362

SCHEMBL3469362

O=C(c1ccc(Br)cc1)c1ccc(O)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
DGAT1 O75907 1/20 0.47
GAA P10253 3/20 0.46
AKR1C3 P42330 1/20 0.46
USP2 O75604 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MAPT P10636 5/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3467995 0.90 DGAT1 (0.56) CASP3SENP8SENP7SENP6MEN1
SCHEMBL29661365 0.89 MAPT (0.54) MEN1KMT2AGAAUSP2KEAP1
SCHEMBL13885068 0.86 KMT2A (0.54) MEN1KMT2AGAAUSP2KEAP1
SCHEMBL5307521 0.84 CES2 (0.55) MEN1KMT2ADGAT1AKR1C3MAPT
SCHEMBL4743106 0.83 MAPK1 (0.58) MEN1KMT2AGAAUSP2KEAP1
SCHEMBL5375567 0.82 MEN1 (0.68) MEN1KMT2AGAAAKR1C3USP2
SCHEMBL7679540 0.82 MEN1 (0.68) CASP3SENP8SENP7SENP6MEN1
SCHEMBL17358779 0.81 MAPT (0.67) MEN1KMT2ADGAT1AKR1C3MAPT
SCHEMBL11015067 0.81 CES2 (0.48) MEN1KMT2ADGAT1GAAUSP2
SCHEMBL3467555 0.81 CASP3 (0.55) CASP3SENP8SENP7SENP6MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2866810-B9 INDUCTION OF ESTROGEN RECEPTOR BETA BY CHOLESTEROL BIOSYNTHESIS INHIBITORS AND METHODS OF TREATMENT OF CANCER UNIV MISSOURI (US) 2019-06-26 EP disclosed
US-10143686-B2 Oxidosqualene cyclase as a protein target for anticancer therapeutics THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2018-12-04 US disclosed
EP-2866810-B1 INDUCTION OF ESTROGEN RECEPTOR BETA BY CHOLESTEROL BIOSYNTHESIS INHIBITORS AND METHODS OF TREATMENT OF CANCER UNIV MISSOURI (US) 2018-10-03 EP disclosed
CN-103596570-B Oxysqualene cyclase as protein targets for anticancer therapy 密苏里大学管委会 2018-02-16 CN disclosed
US-20150366824-A1 INDUCTION OF ESTROGEN RECEPTOR BETA BY CHOLESTEROL BIOSYNTHESIS INHIBITORS AND METHODS OF TREATMENT OF CANCER THE CURATORS OF THE UNIVERSITY OF MISSOURI 2015-12-24 US disclosed
US-20150366824-A1 INDUCTION OF ESTROGEN RECEPTOR BETA BY CHOLESTEROL BIOSYNTHESIS INHIBITORS AND METHODS OF TREATMENT OF CANCER THE CURATORS OF THE UNIVERSITY OF MISSOURI 2015-12-24 US disclosed
US-20150366824-A1 INDUCTION OF ESTROGEN RECEPTOR BETA BY CHOLESTEROL BIOSYNTHESIS INHIBITORS AND METHODS OF TREATMENT OF CANCER THE CURATORS OF THE UNIVERSITY OF MISSOURI 2015-12-24 US disclosed
CN-104717967-A Induction of estrogen receptor beta by cholesterol biosynthesis inhibitors and methods of treatment of cancer UNIV MISSOURI 2015-06-17 CN disclosed
EP-2866810-A1 INDUCTION OF ESTROGEN RECEPTOR BETA BY CHOLESTEROL BIOSYNTHESIS INHIBITORS AND METHODS OF TREATMENT OF CANCER The Curators Of The University Of Missouri (US) 2015-05-06 EP disclosed
CN-103596570-A Oxysqualene cyclase as protein targets for anticancer therapy UNIV MISSOURI 2014-02-19 CN disclosed
WO-2000076316-A1 METHODS RELATED TO METABOLISM OF PARASITES AND MYCOBACTERIA UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2000-12-21 WO disclosed
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed
CN-1158844-A Tertiary amines HOFFMANN LA ROCHE (CH) 1997-09-10 CN disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed
US-5637771-A Compound useful for lowering cholesterol HOFFMANN-LA ROCHE INC. (US) 1997-06-10 US disclosed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed
US-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
CN-1103781-A Use of phenalkylamines HOFFMANN LA ROCHE (CH) 1995-06-21 CN disclosed
EP-0636367-A1 Use of phenylalkylamines for producing cholesterol lowering agents F. HOFFMANN-LA ROCHE AG (CH) 1995-02-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150366824-A1 INDUCTION OF ESTROGEN RECEPTOR BETA BY CHOLESTEROL BIOSYNTHESIS INHIBITORS AND METHODS OF TREATMENT OF CANCER ESRRA, ESRRB, ESRRG CASP3 4000/4885SENP8 2828/4885SENP7 2777/4885
US-10143686-B2 Oxidosqualene cyclase as a protein target for anticancer therapeutics COASY, HCCS, OSBP CASP3 3683/4885SENP8 2555/4885SENP7 2444/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.